6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

C13H10F3N3O3 — CID 90509482

IUPAC6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)nn1
InChIInChI=1S/C13H10F3N3O3/c1-21-11-7-6-9(18-19-11)12(20)17-8-4-2-3-5-10(8)22-13(14,15)16/h2-7H,1H3,(H,17,20)
InChIKeyRHUWTJQRTXELQG-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.64
Rot. Bonds4

About 6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (PubChem CID 90509482) has the molecular formula C13H10F3N3O3 and a molecular weight of 313.24 g/mol. Its IUPAC name is 6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
PubChem CID90509482
Molecular FormulaC13H10F3N3O3
Molecular Weight313.24 g/mol
Exact Mass313.07
IUPAC Name6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)nn1
InChIInChI=1S/C13H10F3N3O3/c1-21-11-7-6-9(18-19-11)12(20)17-8-4-2-3-5-10(8)22-13(14,15)16/h2-7H,1H3,(H,17,20)
InChIKeyRHUWTJQRTXELQG-UHFFFAOYSA-N
XLogP2.64
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (CID 90509482) is 6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is COc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)nn1.
What is the InChIKey of 6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is RHUWTJQRTXELQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3/c1-21-11-7-6-9(18-19-11)12(20)17-8-4-2-3-5-10(8)22-13(14,15)16/h2-7H,1H3,(H,17,20).
What are the key properties of 6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 90509482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).